REMARK  Name = BDB046089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.729  -0.417  -0.645  0.00  0.00    +0.197 A 
ATOM      2  C   LIG    1        0.603   0.366  -0.483  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.509   1.848  -0.580  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -0.458   2.416   0.454  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -1.851   2.184   0.123  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -2.479   2.978   0.169  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -2.542   1.000   0.076  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -1.869  -0.324   0.080  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.665  -1.462   0.322  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.124  -2.746   0.304  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.771  -2.945   0.033  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        0.014  -1.813  -0.212  0.00  0.00    +0.050 A 
ATOM     13  O   LIG    1       -3.772   1.057   0.031  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -0.494  -0.509  -0.191  0.00  0.00    +0.019 A 
ATOM     15  N   LIG    1        1.349  -1.724  -0.525  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        1.974  -2.509  -0.638  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        3.743   0.332   0.196  0.00  0.00    +0.278 C 
ATOM     18  O   LIG    1        2.996  -0.124  -0.929  0.00  0.00    -0.481 OA
ENDBRANCH   1  18
TORSDOF 1